static void Main(string[] args)
{
MSFileReader_XRawfile rawMSfile = new MSFileReader_XRawfile();
rawMSfile.Open("L:\\Davi\\_QE\\BSAs\\20150512_BSA_The-PEG-envelope.raw");
rawMSfile.SetCurrentController(0, 1); /* Controller type 0 means mass spec device; Controller 1 means first MS device */
int nms = 0; /* ref int usrd with GetNumSpectra */
int pbMSData=0;
int pnLastSpectrum=0;
rawMSfile.GetNumSpectra(ref nms);
rawMSfile.IsThereMSData(ref pbMSData);
rawMSfile.GetLastSpectrumNumber(ref pnLastSpectrum);
Debug.WriteLine("Total Spectra: " + nms);
Debug.WriteLine("MSdata: " + pbMSData);
Debug.WriteLine("Last MSdata: " + pnLastSpectrum);
double pkWidCentroid = 0.0;
object mzList = null;
object pkFlg = null;
int arrLen = 0;
for (int i = 1; i < 10; i++){
rawMSfile.GetMassListFromScanNum(i, null, 1, 0, 0, 0, ref pkWidCentroid, ref mzList, ref pkFlg, ref arrLen);
double[,] mslist = (double[,])mzList;
//for (int j = 0; j < 2; j++){
Debug.WriteLine("MSdata: " + mslist[0,i] + "MSdata: " + mslist[1,i] + "Scan:" + i);
//}
}
}
public void ReadMS(int Scan)
{
int ArraySize = 0;
Object MassList = null, EmptyRef = null;
double temp = 0.0;
try {
if (StickMode && Scan > 0)
{
(RawFile as IXRawfile2).GetLabelData(ref MassList, ref EmptyRef, ref Scan);
ArraySize = (MassList as Array).GetLength(1);
RawSpectra[Scan].Data = new MZData[ArraySize];
for (int k = 0; k < ArraySize; k++)
{
RawSpectra[Scan].Data[k].Mass = (double)(MassList as Array).GetValue(0, k);
RawSpectra[Scan].Data[k].Intensity = (double)(MassList as Array).GetValue(1, k);
}
return;
}
else
{
RawFile.GetMassListFromScanNum(ref Scan, null,
0, //type
0, //value
0, //peaks
0, //centeroid
ref temp,
ref MassList,
ref EmptyRef,
ref ArraySize);
}
}
catch {
Exception e = new Exception(string.Format("Scan #{0} cannot be loaded, probably RAW file is corrupted!", Scan));
throw e;
}
//RawSpectra[Scan].Data = new MZData[ArraySize];
for (int j = 0; j < ArraySize; j++)
{
Buf[j].Mass = (double)(MassList as Array).GetValue(0, j);
Buf[j].Intensity = (double)(MassList as Array).GetValue(1, j);
}
MassList = null;
GC.Collect(2);
//if (Settings.Default.Centroids){
// RawSpectra[Scan].Data = PeakDetect(Buf);
//}else{
// RawSpectra[Scan].Data = Centroid(Buf, ArraySize);
//}
int isCentroided = 0;
RawFile.IsCentroidScanForScanNum(Scan, ref isCentroided);
RawSpectra[Scan].Data = Centroid(Buf, ArraySize, isCentroided != 0);
}
public Form2(double[] Values, string flname)
{
InitializeComponent();
//this.SetStyle(ControlStyles.SupportsTransparentBackColor, true);
foreach (var item in Values)
{
Console.Write(item.ToString() + " ");
}
Console.WriteLine();
this.Text = flname;
TextBox t = new TextBox();
t.Text = "Spot Number: " + (Values[0]).ToString();
t.Location = new Point(15, 15);
this.Controls.Add(t);
chart1.Series["MassSpectrum"].ChartType = System.Windows.Forms.DataVisualization.Charting.SeriesChartType.Line;
t.BringToFront();
int[,] sample = new int[2, 10];
MSFileReader_XRawfile rawfile = new MSFileReader_XRawfile();
rawfile.Open(flname);
rawfile.SetCurrentController(0, 1);
int ScanNumber = Convert.ToInt32(Values[0]);
double Centroid_Peak_Width = 0.0;
object Mass_List = null;
object Peak_Flags = null;
int Array_Size = 0;
rawfile.GetMassListFromScanNum(ref ScanNumber, null, 1, 0, 0, 0, ref Centroid_Peak_Width, ref Mass_List, ref Peak_Flags, ref Array_Size);
double[,] ms_list = (double[, ])Mass_List;
//Random rdn = new Random();
//chart1.Series.Add("Series2");
double[] found = new double[(Values.Length - 2) / 2];
//int start = 2;
for (int i = 0; i < ms_list.Length / 2; i++)
{
/*for(int j = start; j < Values.Length; j = j + 2)
* {
* if ((ms_list[0,i] > Values[j]-0.005) && (ms_list[0, i] < Values[j] + 0.005))
* {
* found[(j - 2) / 2] = ms_list[0, i];
* start = j + 2;
* }
* }*/
DataPoint dp2 = new DataPoint(ms_list[0, i], ms_list[1, i]);
chart1.Series["MassSpectrum"].Points.Add(dp2);
// (rdn.Next(0, 10), rdn.Next(0, 10));
}
for (int j = 2; j < Values.Length; j = j + 2)
{
//chart1.Series["MassSpectrum"].Points.FindByValue(found[j], "X").IsValueShownAsLabel = true; // = "("+Values[2*j+2]+", "+Values[2*j+3]+")";
DataPoint dtp = chart1.Series["MassSpectrum"].Points.Aggregate((x, y) => Math.Abs(x.XValue - Values[j]) < Math.Abs(y.XValue - Values[j]) ? x : y);
//DataPoint dtp = chart1.Series["MassSpectrum"].Points.FindByValue(found[j], "X");
double temp = new double();
temp = Math.Round(dtp.XValue, 2);
dtp.Label = temp.ToString(); //"(" + Values[2 * j + 2] + ", " + Values[2 * j + 3] + ")";
}
//chart1.Series["Series2"].Enabled = false;
//chart1.Series["Series2"].IsValueShownAsLabel = true;
chart1.Series["MassSpectrum"].Color = Color.Blue;
}